N-[(2-methyl-5-propan-2-ylphenyl)methyl]-N'-propan-2-ylethane-1,2-diamine

C16H28N2 — CID 115206474

IUPACN-[(2-methyl-5-propan-2-ylphenyl)methyl]-N'-propan-2-ylethane-1,2-diamine
SMILESCc1ccc(C(C)C)cc1CNCCNC(C)C
InChIInChI=1S/C16H28N2/c1-12(2)15-7-6-14(5)16(10-15)11-17-8-9-18-13(3)4/h6-7,10,12-13,17-18H,8-9,11H2,1-5H3
InChIKeyFKHYXMDTTDBCHF-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.21
Rot. Bonds7

About N-[(2-methyl-5-propan-2-ylphenyl)methyl]-N'-propan-2-ylethane-1,2-diamine

N-[(2-methyl-5-propan-2-ylphenyl)methyl]-N'-propan-2-ylethane-1,2-diamine (PubChem CID 115206474) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is N-[(2-methyl-5-propan-2-ylphenyl)methyl]-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-[(2-methyl-5-propan-2-ylphenyl)methyl]-N'-propan-2-ylethane-1,2-diamine
PubChem CID115206474
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC NameN-[(2-methyl-5-propan-2-ylphenyl)methyl]-N'-propan-2-ylethane-1,2-diamine
SMILESCc1ccc(C(C)C)cc1CNCCNC(C)C
InChIInChI=1S/C16H28N2/c1-12(2)15-7-6-14(5)16(10-15)11-17-8-9-18-13(3)4/h6-7,10,12-13,17-18H,8-9,11H2,1-5H3
InChIKeyFKHYXMDTTDBCHF-UHFFFAOYSA-N
XLogP3.21
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]propan-1-amine
CID 143689157
N-methyl-N'-[(2-methyl-5-propan-2-ylphenyl)methyl]propane-1,3-diamine
CID 115197860
1-N-[(2-methyl-5-propan-2-ylphenyl)methyl]pentane-1,4-diamine
CID 115203847
4-[(2-methyl-5-propan-2-ylphenyl)methylamino]butanenitrile
CID 115231720
3-[(2-methyl-5-propan-2-ylphenyl)methylamino]propane-1,2-diol
CID 115122127
N-[(2-methyl-5-propan-2-ylphenyl)methyl]-1-pyrrolidin-2-ylmethanamine
CID 115208280
N-ethyl-N'-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]ethane-1,2-diamine
CID 115206022
(2-methyl-5-propan-2-ylphenyl)methanethiol
CID 21131530
2-(2-methyl-5-propan-2-ylphenyl)acetaldehyde
CID 87494149
N-[(2-methyl-5-propan-2-ylphenyl)methyl]-2-oxopropanamide
CID 115175661
N-[(2,5-dimethylphenyl)methyl]propan-2-amine
CID 43090140
N-[(2-methyl-5-propan-2-ylphenyl)methyl]propane-1-sulfonamide
CID 110784198

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-5-propan-2-ylphenyl)methyl]-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of N-[(2-methyl-5-propan-2-ylphenyl)methyl]-N'-propan-2-ylethane-1,2-diamine (CID 115206474) is N-[(2-methyl-5-propan-2-ylphenyl)methyl]-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N-[(2-methyl-5-propan-2-ylphenyl)methyl]-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N-[(2-methyl-5-propan-2-ylphenyl)methyl]-N'-propan-2-ylethane-1,2-diamine is Cc1ccc(C(C)C)cc1CNCCNC(C)C.
What is the InChIKey of N-[(2-methyl-5-propan-2-ylphenyl)methyl]-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is FKHYXMDTTDBCHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-12(2)15-7-6-14(5)16(10-15)11-17-8-9-18-13(3)4/h6-7,10,12-13,17-18H,8-9,11H2,1-5H3.
What are the key properties of N-[(2-methyl-5-propan-2-ylphenyl)methyl]-N'-propan-2-ylethane-1,2-diamine?
N-[(2-methyl-5-propan-2-ylphenyl)methyl]-N'-propan-2-ylethane-1,2-diamine has a molecular weight of 248.41 g/mol, XLogP of 3.21, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-5-propan-2-ylphenyl)methyl]-N'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 115206474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).